UCSF

ZINC09289668

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.74 -19.23 2 9 0 107 443.46 7
Lo Low (pH 4.5-6) 2.00 5.46 -51.64 3 9 1 112 444.468 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )